3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide

C16H24N2O4S — CID 119463901

IUPAC3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
SMILESCS(=O)(=O)c1ccc(OCCC(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-23(20,21)15-6-4-14(5-7-15)22-10-8-16(19)18-12-13-3-2-9-17-11-13/h4-7,13,17H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyPUPGBAUZDNGGSX-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.97
Rot. Bonds7

About 3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide

3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 119463901) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
PubChem CID119463901
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
SMILESCS(=O)(=O)c1ccc(OCCC(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-23(20,21)15-6-4-14(5-7-15)22-10-8-16(19)18-12-13-3-2-9-17-11-13/h4-7,13,17H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyPUPGBAUZDNGGSX-UHFFFAOYSA-N
XLogP0.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
CID 119461425
3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558807
4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119461600
4-(4-methylsulfonylphenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514677
5-(4-methylsulfonylphenoxy)-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119534985
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423
3-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555554
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
4-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylbutanamide
CID 119454241

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide (CID 119463901) is 3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide is CS(=O)(=O)c1ccc(OCCC(=O)NCC2CCCNC2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is PUPGBAUZDNGGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-23(20,21)15-6-4-14(5-7-15)22-10-8-16(19)18-12-13-3-2-9-17-11-13/h4-7,13,17H,2-3,8-12H2,1H3,(H,18,19).
What are the key properties of 3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide?
3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 340.44 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 119463901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).